SCHEMBL8230229

SCHEMBL8230229

CCN(C(=O)CCCC(N)=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SOAT1 P35610 2/20 0.33
TP53 P04637 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GABRP O00591 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8230227 0.90 KMT2A (0.35) LMNAEPHX2BCHEACHEMEN1
SCHEMBL12928359 0.83 ALDH1A1 (0.52) LMNAEPHX2BCHEACHEALDH1A1
SCHEMBL25836455 0.80 EPHX2 (0.56) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL5209042 0.80 LMNA (0.40) LMNAEPHX2BCHEACHEALDH1A1
SCHEMBL3203690 0.79 MEN1 (0.40) LMNAEPHX2BCHEACHEMEN1
SCHEMBL17285706 0.79 EPHX2 (0.39) LMNAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL5211071 0.75 MEN1 (0.36) LMNAEPHX2BCHEACHEMEN1
SCHEMBL24671536 0.74 MEN1 (0.33) LMNAMEN1KMT2ATP53GABRP
SCHEMBL2294523 0.74 LMNA (0.81) LMNAALDH1A1MEN1KMT2ASOAT1
SCHEMBL2370131 0.73 ALDH1A1 (0.37) LMNAEPHX2ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed